SCHEMBL29674233

SCHEMBL29674233

c1ccc2c(c1)CCNC21CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 2/20 0.43
AKR1B1 P15121 1/20 0.41
KDM1A O60341 3/20 0.40
MAOB P27338 2/20 0.40
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22541598 1.00 HTR2A (0.47) HTR2ATSHRTDP1HTR2CAKR1B1
SCHEMBL14522963 0.90 HTR2A (0.51) HTR2ATSHRTDP1HTR2CAKR1B1
SCHEMBL19564578 0.86 MAPK1 (0.43) HTR2AHTR2CMAOBDRD2
SCHEMBL23855524 0.82 TSHR (0.44) HTR2ATSHRTDP1HTR2CAKR1B1
SCHEMBL29386234 0.82 TSHR (0.44) HTR2ATSHRTDP1HTR2CAKR1B1
SCHEMBL28442386 0.82 TSHR (0.44) HTR2ATSHRTDP1HTR2CAKR1B1
SCHEMBL1721598 0.81 TSHR (0.42) HTR2ATSHRTDP1AKR1B1KDM1A
SCHEMBL1721595 0.81 AKR1B1 (0.47) HTR2ATSHRTDP1AKR1B1KDM1A
SCHEMBL21130626 0.81 HTR2A (0.36) HTR2ATSHRTDP1AKR1B1KDM1A
SCHEMBL19564579 0.81 CYP2D6 (0.44) HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR2A 4047/4885TSHR 4456/4885TDP1 982/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.